2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine

C16H17Br2NO — CID 107722774

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine
SMILESCc1cc(OC(CN)c2ccccc2Br)cc(C)c1Br
InChIInChI=1S/C16H17Br2NO/c1-10-7-12(8-11(2)16(10)18)20-15(9-19)13-5-3-4-6-14(13)17/h3-8,15H,9,19H2,1-2H3
InChIKeyZMLVPIOFPHWRMR-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.91
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine

2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine (PubChem CID 107722774) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine
PubChem CID107722774
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine
SMILESCc1cc(OC(CN)c2ccccc2Br)cc(C)c1Br
InChIInChI=1S/C16H17Br2NO/c1-10-7-12(8-11(2)16(10)18)20-15(9-19)13-5-3-4-6-14(13)17/h3-8,15H,9,19H2,1-2H3
InChIKeyZMLVPIOFPHWRMR-UHFFFAOYSA-N
XLogP4.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine
CID 55022743
2-(2-bromophenyl)-2-(4-methylphenoxy)ethanamine
CID 55022309
2-(2-bromophenyl)-2-(3-methylphenoxy)ethanamine
CID 55022790
2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 63457818
2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine
CID 107722734
2-(2-bromophenyl)-2-(2-fluorophenoxy)ethanamine
CID 55022598
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
CID 83132841
3-[2-amino-1-(2-methylphenyl)ethoxy]-5-methoxybenzonitrile
CID 103566569
2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82004824
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine (CID 107722774) is 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine is Cc1cc(OC(CN)c2ccccc2Br)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine?
The InChIKey is ZMLVPIOFPHWRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-10-7-12(8-11(2)16(10)18)20-15(9-19)13-5-3-4-6-14(13)17/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine?
2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine has a molecular weight of 399.13 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine is sourced from PubChem (CID 107722774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).